(4-acetamidophenyl) 2-[[(2S)-3-phenyl-2-(trifluoromethyloxycarbonylamino)propanoyl]amino]ethanoate

Systemtic Name: (4-acetamidophenyl) 2-[[(2S)-3-phenyl-2-(trifluoromethyloxycarbonylamino)propanoyl]amino]ethanoate Openeye Name: (4-acetamidophenyl) 2-[[(2S)-3-phenyl-2-(trifluoromethoxycarbonylamino)propanoyl]amino]acetate CAS Name: 2-[[(2S)-1-oxo-2-[[oxo(trifluoromethoxy)methyl]amino]-3-phenylpropyl]amino]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-[[(2S)-3-phenyl-2-(trifluoromethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-3-phenyl-2-(trifluoromethoxycarbonylamino)propanoyl]amino]acetic acid (4-acetamidophenyl) ester Formula: C21H20F3N3O6 MolecularWeight: 467.39521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(F)(F)F

InChI

InChI=1S/C21H20F3N3O6/c1-13(28)26-15-7-9-16(10-8-15)32-18(29)12-25-19(30)17(11-14-5-3-2-4-6-14)27-20(31)33-21(22,23)24/h2-10,17H,11-12H2,1H3,(H,25,30)(H,26,28)(H,27,31)/t17-/m0/s1